(Z)-3-fluoro-2-phenylhept-2-en-4-ol

C13H17FO — CID 166437571

IUPAC(Z)-3-fluoro-2-phenylhept-2-en-4-ol
SMILESCCCC(O)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C13H17FO/c1-3-7-12(15)13(14)10(2)11-8-5-4-6-9-11/h4-6,8-9,12,15H,3,7H2,1-2H3/b13-10-
InChIKeyNEAQDARSAQDLGL-RAXLEYEMSA-N
MW208.28 g/mol
LogP3.55
Rot. Bonds4

About (Z)-3-fluoro-2-phenylhept-2-en-4-ol

(Z)-3-fluoro-2-phenylhept-2-en-4-ol (PubChem CID 166437571) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is (Z)-3-fluoro-2-phenylhept-2-en-4-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-2-phenylhept-2-en-4-ol
PubChem CID166437571
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name(Z)-3-fluoro-2-phenylhept-2-en-4-ol
SMILESCCCC(O)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C13H17FO/c1-3-7-12(15)13(14)10(2)11-8-5-4-6-9-11/h4-6,8-9,12,15H,3,7H2,1-2H3/b13-10-
InChIKeyNEAQDARSAQDLGL-RAXLEYEMSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-phenylhept-2-en-4-ol?
The IUPAC name of (Z)-3-fluoro-2-phenylhept-2-en-4-ol (CID 166437571) is (Z)-3-fluoro-2-phenylhept-2-en-4-ol.
What is the SMILES notation for (Z)-3-fluoro-2-phenylhept-2-en-4-ol?
The canonical SMILES for (Z)-3-fluoro-2-phenylhept-2-en-4-ol is CCCC(O)/C(F)=C(\C)c1ccccc1.
What is the InChIKey of (Z)-3-fluoro-2-phenylhept-2-en-4-ol?
The InChIKey is NEAQDARSAQDLGL-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-7-12(15)13(14)10(2)11-8-5-4-6-9-11/h4-6,8-9,12,15H,3,7H2,1-2H3/b13-10-.
What are the key properties of (Z)-3-fluoro-2-phenylhept-2-en-4-ol?
(Z)-3-fluoro-2-phenylhept-2-en-4-ol has a molecular weight of 208.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-phenylhept-2-en-4-ol is sourced from PubChem (CID 166437571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).